1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one

C20H35F2N3O — CID 176558295

IUPAC1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
SMILESCCCN1CCC2(CCN(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O/c1-3-10-23-13-7-19(20(21,22)16-23)8-14-24(15-9-19)17-5-11-25(12-6-17)18(26)4-2/h17H,3-16H2,1-2H3
InChIKeySDBNRRFLOYJVRU-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.22
Rot. Bonds4

About 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one

1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one (PubChem CID 176558295) has the molecular formula C20H35F2N3O and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
PubChem CID176558295
Molecular FormulaC20H35F2N3O
Molecular Weight371.52 g/mol
Exact Mass371.27
IUPAC Name1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one
SMILESCCCN1CCC2(CCN(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1
InChIInChI=1S/C20H35F2N3O/c1-3-10-23-13-7-19(20(21,22)16-23)8-14-24(15-9-19)17-5-11-25(12-6-17)18(26)4-2/h17H,3-16H2,1-2H3
InChIKeySDBNRRFLOYJVRU-UHFFFAOYSA-N
XLogP3.22
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

N-(3-tert-butyl-1-methylpiperidin-4-yl)-N-(1-ethylpiperidin-4-yl)-2,2,2-trifluoroacetamide
CID 91511901
1-[4-(4-Ethylpiperidin-1-yl)piperidin-1-yl]-2,2-difluoropropan-1-one
CID 117617389
(1-Tert-butylpiperidin-4-yl)-[4-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]methanone
CID 118531418
1-[4-(4,4-Difluoropiperidin-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 126750240
2,2-Dimethyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 126750478
(1-Tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
CID 129149462
[4-(dimethylamino)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine;ethane
CID 144962761
Ethane;2-methyl-1-[4-[3-(trifluoromethyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
CID 145287073
2,2-Difluoro-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;3,3-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 159299521
Ethane;1-[2-(4-ethyl-3,3-difluoropiperidin-1-yl)-7-azaspiro[3.5]nonan-7-yl]-2-methylpropan-1-one
CID 176558164
1-[3-[(5,5-Difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]pyrrolidin-1-yl]propan-1-one;ethane
CID 176558168
1-[4-[1-[[3,3-Difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone;ethane
CID 176558181

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one (CID 176558295) is 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one is CCCN1CCC2(CCN(C3CCN(C(=O)CC)CC3)CC2)C(F)(F)C1.
What is the InChIKey of 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SDBNRRFLOYJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F2N3O/c1-3-10-23-13-7-19(20(21,22)16-23)8-14-24(15-9-19)17-5-11-25(12-6-17)18(26)4-2/h17H,3-16H2,1-2H3.
What are the key properties of 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one?
1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one has a molecular weight of 371.52 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,5-difluoro-3-propyl-3,9-diazaspiro[5.5]undecan-9-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 176558295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).